4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=25.13969171624418 stress="-2.100179575862223 -0.3802947332261964 -0.09713546275806818 -0.3802947332261964 -2.214181022447999 0.35819515352671466 -0.09713546275806818 0.35819515352671466 -1.5023310751820533" pbc="T T F" Na -0.13449789 -0.21197381 0.22277084 10.40766934 14.17126993 -15.13526461 Na 1.68584377 1.68362810 0.19581920 -13.23960367 -7.14133926 -14.80120939 Na 1.64685009 0.42259636 1.67626233 -7.21396131 -5.10690264 11.75758689 Na -0.14597521 1.70996341 1.49207130 10.04589565 -1.92302803 18.17888710